2-cyclohexa-2,4-dien-1-ylethanamine

C8H13N — CID 14846436

IUPAC2-cyclohexa-2,4-dien-1-ylethanamine
SMILESNCCC1C=CC=CC1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-4,8H,5-7,9H2
InChIKeyUMMSYUVOUOAZFM-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.47
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-ylethanamine

2-cyclohexa-2,4-dien-1-ylethanamine (PubChem CID 14846436) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylethanamine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylethanamine
PubChem CID14846436
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-cyclohexa-2,4-dien-1-ylethanamine
SMILESNCCC1C=CC=CC1
InChIInChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-4,8H,5-7,9H2
InChIKeyUMMSYUVOUOAZFM-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylethanamine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylethanamine (CID 14846436) is 2-cyclohexa-2,4-dien-1-ylethanamine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylethanamine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylethanamine is NCCC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylethanamine?
The InChIKey is UMMSYUVOUOAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c9-7-6-8-4-2-1-3-5-8/h1-4,8H,5-7,9H2.
What are the key properties of 2-cyclohexa-2,4-dien-1-ylethanamine?
2-cyclohexa-2,4-dien-1-ylethanamine has a molecular weight of 123.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylethanamine is sourced from PubChem (CID 14846436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).